#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cp3 s SER 2 N 0.00 6.40 0.05 1.61 1.04 -1.26 -4.72 113.70 116.83 2cp3 s SER 2 Ca 0.00 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.05 2cp3 s SER 2 Cb 0.00 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 2cp3 s SER 2 CO 0.00 -1.40 -0.03 -1.20 0.98 0.00 0.00 173.24 171.60 2cp3 n SER 3 N 7.88 0.91 0.00 7.02 7.64 -1.26 -5.08 113.62 130.73 2cp3 n SER 3 Ca 0.16 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2cp3 n SER 3 Cb 0.49 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2cp3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cp3 n GLY 4 N 3.29 -0.19 2.83 0.23 0.00 -1.26 -5.02 105.19 105.07 2cp3 n GLY 4 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2cp3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cp3 n SER 5 N -1.81 4.04 -3.54 1.61 3.41 -1.26 -4.84 113.62 111.24 2cp3 n SER 5 Ca 0.00 -2.86 -0.14 0.00 -0.26 0.00 0.00 58.87 55.61 2cp3 n SER 5 Cb 0.00 -1.66 -0.05 0.00 -0.26 0.00 0.00 64.21 62.24 2cp3 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cp3 s SER 6 N 3.21 -0.53 0.00 4.04 0.15 -1.26 -4.97 113.70 114.34 2cp3 s SER 6 Ca 0.47 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2cp3 s SER 6 Cb 0.13 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2cp3 s SER 6 CO -0.07 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2cp3 n GLY 7 N 0.73 2.36 1.68 9.45 0.00 -1.26 -4.88 105.19 113.26 2cp3 n GLY 7 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2cp3 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cp3 n LEU 8 N 0.00 -5.73 -4.73 0.99 4.77 -1.26 -4.92 117.00 106.12 2cp3 n LEU 8 Ca 0.00 2.81 -0.34 0.00 -0.03 0.00 0.00 56.01 58.45 2cp3 n LEU 8 Cb 0.00 -2.65 0.09 0.00 -2.33 0.00 0.00 43.42 38.53 2cp3 n LEU 8 CO 0.00 -0.85 0.77 -0.13 -1.33 0.00 0.00 177.39 175.85 2cp3 s ARG 9 N -1.96 2.21 -1.28 3.23 0.52 -1.26 -4.90 118.95 115.51 2cp3 s ARG 9 Ca 0.00 1.64 -0.17 0.00 -0.52 0.00 0.00 55.73 56.67 2cp3 s ARG 9 Cb 0.00 -1.86 0.09 0.00 0.52 0.00 0.00 34.95 33.70 2cp3 s ARG 9 CO 0.00 -1.75 1.69 1.28 0.02 0.00 0.00 175.30 176.54 2cp3 n LEU 10 N -2.79 4.99 0.00 2.53 4.77 -1.26 -3.70 117.00 121.53 2cp3 n LEU 10 Ca 0.12 -4.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.09 2cp3 n LEU 10 Cb 0.51 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2cp3 n LEU 10 CO 0.48 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2cp3 n GLY 11 N 5.17 0.39 3.16 -0.72 0.00 -0.79 -4.95 105.19 107.45 2cp3 n GLY 11 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 2cp3 n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cp3 s ASP 12 N -0.39 1.79 -0.31 1.61 1.11 -1.24 -4.84 116.67 114.40 2cp3 s ASP 12 Ca 0.00 -0.48 -0.29 0.00 0.18 0.00 0.00 52.55 51.96 2cp3 s ASP 12 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 42.92 43.87 2cp3 s ASP 12 CO 0.00 0.05 1.48 -0.60 1.18 0.00 0.00 175.17 177.28 2cp3 s ARG 13 N -1.19 3.71 0.19 8.23 3.52 -1.26 -0.68 118.95 131.47 2cp3 s ARG 13 Ca 0.02 1.29 0.10 0.00 -0.13 0.00 0.00 55.73 57.02 2cp3 s ARG 13 Cb -0.08 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.26 2cp3 s ARG 13 CO 0.01 -1.39 -0.22 0.14 -0.81 0.00 0.00 175.30 173.03 2cp3 s VAL 14 N 5.23 2.17 -0.12 7.11 -7.23 0.14 -3.30 120.40 124.41 2cp3 s VAL 14 Ca 0.65 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 2cp3 s VAL 14 Cb -0.19 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2cp3 s VAL 14 CO 0.29 -0.20 0.58 -0.22 -0.31 0.00 0.00 175.10 175.24 2cp3 s LEU 15 N -2.70 4.26 -0.30 1.32 2.96 0.23 -1.26 118.68 123.20 2cp3 s LEU 15 Ca 0.19 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2cp3 s LEU 15 Cb -0.07 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.83 2cp3 s LEU 15 CO 0.09 -0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.31 2cp3 s VAL 16 N 0.93 2.57 0.00 1.68 1.01 -0.27 -1.99 120.40 124.34 2cp3 s VAL 16 Ca 0.30 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2cp3 s VAL 16 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2cp3 s VAL 16 CO 0.13 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2cp3 n GLY 17 N 4.49 2.92 0.00 4.51 0.00 -1.26 -3.56 105.19 112.29 2cp3 n GLY 17 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2cp3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cp3 n GLY 18 N 0.00 1.85 0.23 -0.02 0.00 -1.26 -4.95 105.19 101.04 2cp3 n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cp3 n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cp3 n THR 19 N -0.30 0.00 -2.66 2.61 -2.24 -1.26 -5.10 114.28 105.33 2cp3 n THR 19 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2cp3 n THR 19 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2cp3 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cp3 s LYS 20 N -1.35 3.87 -0.08 -0.78 1.02 -1.23 -4.95 119.74 116.24 2cp3 s LYS 20 Ca 0.00 0.75 -0.20 0.00 0.02 0.00 0.00 55.97 56.53 2cp3 s LYS 20 Cb 0.00 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2cp3 s LYS 20 CO 0.00 -1.11 0.56 0.95 -0.92 0.00 0.00 175.35 174.83 2cp3 s THR 21 N 3.94 5.08 -0.03 2.17 -4.23 -1.26 -1.12 115.64 120.20 2cp3 s THR 21 Ca 0.45 1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 61.94 2cp3 s THR 21 Cb -0.10 -3.90 0.03 0.00 1.34 0.00 0.00 72.50 69.87 2cp3 s THR 21 CO 0.23 0.33 0.37 -0.83 -0.54 0.00 0.00 174.62 174.18 2cp3 s GLY 22 N 0.45 -0.22 0.05 3.99 0.00 -0.39 -4.13 107.32 107.07 2cp3 s GLY 22 Ca 0.30 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.35 2cp3 s GLY 22 CO 0.14 0.29 0.56 0.14 0.00 0.00 0.00 173.10 174.23 2cp3 s VAL 23 N -1.20 4.79 0.11 1.40 1.01 -0.21 0.29 120.40 126.59 2cp3 s VAL 23 Ca -0.12 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 2cp3 s VAL 23 Cb -0.04 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2cp3 s VAL 23 CO 0.05 0.53 1.54 -0.69 0.00 0.00 0.00 175.10 176.53 2cp3 s VAL 24 N -0.93 2.99 -0.10 2.92 1.01 0.14 -0.90 120.40 125.54 2cp3 s VAL 24 Ca 0.29 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.96 2cp3 s VAL 24 Cb -0.19 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 2cp3 s VAL 24 CO 0.18 0.03 -0.00 0.54 0.00 0.00 0.00 175.10 175.85 2cp3 n ARG 25 N 4.57 1.90 -3.94 2.72 5.12 0.63 -1.89 116.66 125.77 2cp3 n ARG 25 Ca 0.14 0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 2cp3 n ARG 25 Cb 0.40 -1.25 -0.12 0.00 -1.16 0.00 0.00 32.46 30.34 2cp3 n ARG 25 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2cp3 s TYR 26 N -2.24 0.17 -0.12 -1.55 5.04 -1.13 -4.90 117.35 112.63 2cp3 s TYR 26 Ca -0.08 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.16 2cp3 s TYR 26 Cb 0.03 -0.13 0.06 0.00 0.35 0.00 0.00 41.96 42.27 2cp3 s TYR 26 CO 0.37 -0.14 0.22 0.08 -1.34 0.00 0.00 175.55 174.74 2cp3 s VAL 27 N -1.03 -0.36 -5.00 3.14 1.01 -1.26 -0.89 120.40 116.01 2cp3 s VAL 27 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2cp3 s VAL 27 Cb -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2cp3 s VAL 27 CO -0.01 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2cp3 n GLY 28 N 5.34 -1.00 3.72 4.51 0.00 -0.88 -5.04 105.19 111.84 2cp3 n GLY 28 Ca -0.06 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 2cp3 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 29 N -1.71 1.49 0.06 1.61 2.02 -1.26 -1.35 118.70 119.55 2cp3 s GLU 29 Ca 0.00 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.12 2cp3 s GLU 29 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2cp3 s GLU 29 CO 0.00 -2.17 0.01 0.25 0.02 0.00 0.00 175.26 173.37 2cp3 n THR 30 N -3.87 0.00 -1.84 3.63 -2.24 -1.25 -4.81 114.28 103.90 2cp3 n THR 30 Ca 0.09 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2cp3 n THR 30 Cb 0.54 -0.07 0.15 0.00 -2.10 0.00 0.00 70.33 68.84 2cp3 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2cp3 n ASP 31 N -1.27 1.94 0.00 3.42 8.00 -1.26 -4.76 116.55 122.63 2cp3 n ASP 31 Ca -0.02 -3.51 0.00 0.00 0.71 0.00 0.00 54.79 51.97 2cp3 n ASP 31 Cb 0.07 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2cp3 n ASP 31 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2cp3 n PHE 32 N -0.78 0.00 -4.83 1.24 1.16 -1.26 -5.09 117.46 107.90 2cp3 n PHE 32 Ca 0.19 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.47 2cp3 n PHE 32 Cb 0.80 0.34 -0.14 0.00 -1.61 0.00 0.00 39.48 38.87 2cp3 n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2cp3 s ALA 33 N -1.69 2.37 0.40 1.98 0.00 -1.26 -5.12 121.76 118.45 2cp3 s ALA 33 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 51.96 50.47 2cp3 s ALA 33 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 2cp3 s ALA 33 CO 0.00 0.55 1.18 0.21 0.00 0.00 0.00 175.76 177.70 2cp3 s LYS 34 N -1.29 4.03 0.00 0.00 2.20 -1.26 -4.43 119.74 119.00 2cp3 s LYS 34 Ca 0.13 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 2cp3 s LYS 34 Cb -0.10 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 2cp3 s LYS 34 CO 0.03 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2cp3 n GLY 35 N 0.63 -2.12 3.68 5.54 0.00 -1.26 -4.99 105.19 106.67 2cp3 n GLY 35 Ca 0.04 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 2cp3 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cp3 s GLU 36 N -0.48 3.78 0.27 1.61 2.02 -1.26 -3.94 118.70 120.70 2cp3 s GLU 36 Ca 0.00 -0.32 0.12 0.00 0.02 0.00 0.00 54.97 54.79 2cp3 s GLU 36 Cb 0.00 -3.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 2cp3 s GLU 36 CO 0.00 0.40 -0.18 -1.58 0.02 0.00 0.00 175.26 173.92 2cp3 s TRP 37 N 0.01 2.34 -0.12 1.61 0.52 -0.46 -2.78 118.94 120.06 2cp3 s TRP 37 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 55.86 2cp3 s TRP 37 Cb -0.12 -1.03 0.02 0.00 -1.15 0.00 0.00 33.47 31.19 2cp3 s TRP 37 CO 0.01 0.68 -0.11 0.00 0.02 0.00 0.00 176.95 177.55 2cp3 s GLY 39 N 1.53 1.18 -0.20 0.00 0.00 -0.06 -2.24 107.32 107.53 2cp3 s GLY 39 Ca 0.03 -1.25 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2cp3 s GLY 39 CO -0.08 2.35 0.27 0.14 0.00 0.00 0.00 173.10 175.77 2cp3 s VAL 40 N 4.74 5.30 -0.22 1.40 1.01 -0.82 -0.27 120.40 131.55 2cp3 s VAL 40 Ca 0.34 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 2cp3 s VAL 40 Cb -0.10 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2cp3 s VAL 40 CO 0.18 0.34 0.22 -0.70 0.00 0.00 0.00 175.10 175.14 2cp3 s GLU 41 N 0.87 4.11 0.59 2.72 2.12 -0.08 -0.59 118.70 128.44 2cp3 s GLU 41 Ca 0.14 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 2cp3 s GLU 41 Cb -0.13 -3.52 0.04 0.00 0.26 0.00 0.00 34.13 30.78 2cp3 s GLU 41 CO 0.04 0.07 0.84 -0.51 -0.54 0.00 0.00 175.26 175.16 2cp3 s LEU 42 N 1.02 3.15 -0.04 2.70 1.43 -0.01 -1.04 118.68 125.88 2cp3 s LEU 42 Ca 0.11 0.09 0.12 0.00 -1.03 0.00 0.00 54.13 53.42 2cp3 s LEU 42 Cb -0.13 -2.90 -0.23 0.00 0.03 0.00 0.00 46.19 42.96 2cp3 s LEU 42 CO 0.05 -1.28 0.66 -0.90 0.23 0.00 0.00 176.35 175.11 2cp3 n ASP 43 N -2.50 0.88 -4.80 2.29 5.68 -1.26 -4.87 116.55 111.98 2cp3 n ASP 43 Ca 0.08 0.42 -0.22 0.00 -0.50 0.00 0.00 54.79 54.57 2cp3 n ASP 43 Cb 0.60 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.46 2cp3 n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2cp3 s GLU 44 N -2.60 2.75 -0.78 0.11 0.41 -1.26 -5.00 118.70 112.33 2cp3 s GLU 44 Ca -0.05 -1.20 -0.11 0.00 -0.41 0.00 0.00 54.97 53.20 2cp3 s GLU 44 Cb 0.08 -2.46 -0.09 0.00 -1.78 0.00 0.00 34.13 29.89 2cp3 s GLU 44 CO 0.82 0.30 1.95 -0.35 -0.49 0.00 0.00 175.26 177.49 2cp3 n PRO 45 N -1.19 1.69 -0.76 0.39 -0.04 -1.26 -4.36 135.00 129.47 2cp3 n PRO 45 Ca -0.06 -1.49 0.03 0.00 -0.04 0.00 0.00 63.50 61.94 2cp3 n PRO 45 Cb 0.59 -2.56 0.19 0.00 -0.04 0.00 0.00 33.50 31.67 2cp3 n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cp3 n LEU 46 N 5.40 2.95 0.00 1.53 4.77 -1.26 -4.96 117.00 125.42 2cp3 n LEU 46 Ca 0.43 -4.00 -0.23 0.00 -0.03 0.00 0.00 56.01 52.18 2cp3 n LEU 46 Cb 0.21 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2cp3 n LEU 46 CO 0.80 1.48 0.16 0.61 -1.33 0.00 0.00 177.39 179.12 2cp3 n GLY 47 N -1.07 2.49 0.05 -0.72 0.00 -1.26 -4.97 105.19 99.70 2cp3 n GLY 47 Ca 0.22 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 2cp3 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cp3 n LYS 48 N -1.89 1.64 -2.92 1.61 2.85 -1.23 -4.73 118.16 113.47 2cp3 n LYS 48 Ca 0.04 0.02 -0.08 0.00 -1.05 0.00 0.00 58.31 57.24 2cp3 n LYS 48 Cb 0.59 -1.22 -0.03 0.00 -0.65 0.00 0.00 35.03 33.71 2cp3 n LYS 48 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2cp3 n ASN 49 N -2.53 -0.09 -1.75 -5.58 3.02 -1.05 -4.83 115.26 102.45 2cp3 n ASN 49 Ca -0.17 -1.89 -0.17 0.00 -0.03 0.00 0.00 54.58 52.32 2cp3 n ASN 49 Cb 0.75 0.64 0.06 0.00 -0.61 0.00 0.00 39.78 40.63 2cp3 n ASN 49 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2cp3 n ASP 50 N -2.37 4.11 -0.58 6.41 5.75 -1.26 -1.89 116.55 126.72 2cp3 n ASP 50 Ca 0.02 -3.71 -0.05 0.00 -0.01 0.00 0.00 54.79 51.04 2cp3 n ASP 50 Cb 0.25 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 2cp3 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cp3 n GLY 51 N -0.78 0.26 2.86 6.12 0.00 -1.26 -3.80 105.19 108.60 2cp3 n GLY 51 Ca 0.37 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 2cp3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cp3 s ALA 52 N -2.26 1.34 -0.39 4.61 0.00 -1.26 -2.84 121.76 120.97 2cp3 s ALA 52 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2cp3 s ALA 52 Cb 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 23.12 22.13 2cp3 s ALA 52 CO 0.00 -0.76 0.18 0.08 0.00 0.00 0.00 175.76 175.27 2cp3 s VAL 53 N 1.70 3.61 -1.47 0.00 1.01 0.23 -4.61 120.40 120.86 2cp3 s VAL 53 Ca 0.01 -1.65 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 2cp3 s VAL 53 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2cp3 s VAL 53 CO -0.08 -0.49 0.84 0.00 0.00 0.00 0.00 175.10 175.38 2cp3 n ALA 54 N 4.73 -1.11 0.00 5.51 0.00 -1.26 -1.70 120.51 126.69 2cp3 n ALA 54 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2cp3 n ALA 54 Cb 0.42 -4.57 0.00 0.00 0.00 0.00 0.00 19.45 15.31 2cp3 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cp3 n GLY 55 N -1.73 2.98 3.58 0.00 0.00 -1.26 -5.01 105.19 103.76 2cp3 n GLY 55 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2cp3 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cp3 s THR 56 N -2.52 3.63 -0.34 2.61 2.01 -0.69 -4.97 115.64 115.37 2cp3 s THR 56 Ca 0.00 0.56 -0.09 0.00 0.31 0.00 0.00 61.69 62.48 2cp3 s THR 56 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2cp3 s THR 56 CO 0.00 -0.81 0.15 -0.60 -0.69 0.00 0.00 174.62 172.67 2cp3 s ARG 57 N 5.77 2.89 0.07 4.92 3.52 -1.26 -0.60 118.95 134.26 2cp3 s ARG 57 Ca 0.65 -1.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.29 2cp3 s ARG 57 Cb -0.15 -3.58 -0.23 0.00 -1.56 0.00 0.00 34.95 29.43 2cp3 s ARG 57 CO 0.28 -0.61 1.09 1.88 -0.81 0.00 0.00 175.30 177.14 2cp3 h TYR 58 N 8.34 0.14 -3.13 5.12 0.05 -1.90 -3.46 116.97 122.12 2cp3 h TYR 58 Ca -0.27 -0.10 -0.19 0.00 0.05 0.00 0.00 58.73 58.21 2cp3 h TYR 58 Cb 1.11 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 38.56 2cp3 h TYR 58 CO 0.59 1.10 -0.50 -0.59 -1.05 0.00 0.00 178.16 177.72 2cp3 s PHE 59 N -2.67 -0.27 -0.10 4.88 -0.71 -1.26 -5.03 117.98 112.83 2cp3 s PHE 59 Ca -0.02 0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 56.23 2cp3 s PHE 59 Cb 0.09 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2cp3 s PHE 59 CO 0.84 -0.18 1.49 -1.14 -1.34 0.00 0.00 175.22 174.89 2cp3 s GLN 60 N 0.82 4.20 -0.00 1.99 2.00 -1.26 -4.61 119.66 122.80 2cp3 s GLN 60 Ca -0.06 1.97 -0.10 0.00 -2.00 0.00 0.00 55.36 55.17 2cp3 s GLN 60 Cb -0.07 -3.89 0.01 0.00 0.80 0.00 0.00 33.01 29.86 2cp3 s GLN 60 CO -0.05 -0.79 0.20 0.00 -0.50 0.00 0.00 175.29 174.15 2cp3 s PRO 62 N -1.45 2.98 0.26 0.00 0.04 -1.26 -4.81 135.00 130.77 2cp3 s PRO 62 Ca -0.14 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2cp3 s PRO 62 Cb -0.06 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2cp3 s PRO 62 CO 0.02 -1.14 1.39 -2.30 0.04 0.00 0.00 177.00 175.02 2cp3 n PRO 63 N -1.90 2.07 -2.94 0.56 -0.02 -1.26 -3.56 135.00 127.94 2cp3 n PRO 63 Ca 0.11 0.73 -0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2cp3 n PRO 63 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2cp3 n PRO 63 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2cp3 n LYS 64 N 1.79 -1.29 0.00 -0.52 4.76 -1.25 -4.94 118.16 116.71 2cp3 n LYS 64 Ca 0.10 1.47 0.00 0.00 -2.87 0.00 0.00 58.31 57.01 2cp3 n LYS 64 Cb 0.32 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.04 2cp3 n LYS 64 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cp3 n PHE 65 N -1.64 -1.30 -3.24 2.13 3.72 -1.19 -4.27 117.46 111.68 2cp3 n PHE 65 Ca 0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 2cp3 n PHE 65 Cb 0.50 0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 39.24 2cp3 n PHE 65 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2cp3 s GLY 66 N -1.54 2.65 -0.14 1.37 0.00 -0.79 -0.83 107.32 108.04 2cp3 s GLY 66 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 2cp3 s GLY 66 CO 0.00 0.59 -0.03 -2.27 0.00 0.00 0.00 173.10 171.39 2cp3 s LEU 67 N -0.74 1.21 -0.22 0.66 0.20 0.24 -2.52 118.68 117.51 2cp3 s LEU 67 Ca 0.30 -0.49 -0.29 0.00 0.69 0.00 0.00 54.13 54.33 2cp3 s LEU 67 Cb -0.19 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 44.85 2cp3 s LEU 67 CO 0.18 -0.20 1.09 -0.36 -0.29 0.00 0.00 176.35 176.77 2cp3 s PHE 68 N 1.77 3.24 0.02 5.38 0.08 -1.26 -1.94 117.98 125.27 2cp3 s PHE 68 Ca 0.02 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2cp3 s PHE 68 Cb -0.14 -3.32 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 2cp3 s PHE 68 CO -0.07 -0.73 -0.03 0.00 -0.10 0.00 0.00 175.22 174.28 2cp3 s ALA 69 N 3.26 0.19 0.46 5.36 0.00 -0.95 -4.97 121.76 125.11 2cp3 s ALA 69 Ca 0.46 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 2cp3 s ALA 69 Cb -0.16 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 2cp3 s ALA 69 CO 0.08 -0.11 1.02 -2.30 0.00 0.00 0.00 175.76 174.45 2cp3 n PRO 70 N 1.81 1.31 -0.12 0.00 -0.02 -1.26 -0.13 135.00 136.58 2cp3 n PRO 70 Ca -0.22 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.66 2cp3 n PRO 70 Cb 0.56 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2cp3 n PRO 70 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2cp3 h ILE 71 N 1.35 1.06 0.00 4.25 2.10 -1.82 -1.19 117.51 123.26 2cp3 h ILE 71 Ca -0.46 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2cp3 h ILE 71 Cb 1.34 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2cp3 h ILE 71 CO 0.56 0.09 0.00 1.12 -1.08 0.00 0.00 178.15 178.83 2cp3 h HIS 72 N 0.48 0.00 -0.60 2.19 2.07 -1.91 -1.43 115.15 115.95 2cp3 h HIS 72 Ca 0.15 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.51 2cp3 h HIS 72 Cb -0.02 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 29.87 2cp3 h HIS 72 CO -0.06 0.00 0.20 1.63 -3.07 0.00 0.00 177.93 176.62 2cp3 n LYS 73 N -2.95 3.42 -5.02 5.12 4.76 -0.46 -4.88 118.16 118.15 2cp3 n LYS 73 Ca -0.01 -2.54 -0.29 0.00 -2.87 0.00 0.00 58.31 52.59 2cp3 n LYS 73 Cb 0.15 -2.07 -0.16 0.00 -1.84 0.00 0.00 35.03 31.11 2cp3 n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cp3 s VAL 74 N -2.54 1.71 -0.04 -0.18 1.01 -0.54 -4.53 120.40 115.30 2cp3 s VAL 74 Ca 0.45 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2cp3 s VAL 74 Cb 0.36 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2cp3 s VAL 74 CO 0.12 0.48 -0.04 -0.63 0.00 0.00 0.00 175.10 175.03 2cp3 s ILE 75 N 0.12 3.92 0.07 2.22 1.01 -0.84 -4.97 121.20 122.73 2cp3 s ILE 75 Ca -0.08 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2cp3 s ILE 75 Cb -0.14 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2cp3 s ILE 75 CO 0.04 0.49 0.34 -0.60 0.00 0.00 0.00 174.94 175.22 2cp3 s ARG 76 N -1.16 3.64 -0.17 2.79 3.52 -1.26 0.77 118.95 127.08 2cp3 s ARG 76 Ca 0.16 -0.01 0.13 0.00 -0.13 0.00 0.00 55.73 55.88 2cp3 s ARG 76 Cb -0.11 -2.99 -0.20 0.00 -1.56 0.00 0.00 34.95 30.09 2cp3 s ARG 76 CO 0.05 0.57 0.03 -0.89 -0.81 0.00 0.00 175.30 174.25 2cp3 n ILE 77 N 0.73 1.15 -2.97 4.11 5.41 -1.21 -4.84 119.36 121.74 2cp3 n ILE 77 Ca -0.07 -0.68 -0.34 0.00 1.00 0.00 0.00 62.75 62.66 2cp3 n ILE 77 Cb 0.52 -0.63 -0.06 0.00 -0.71 0.00 0.00 39.64 38.75 2cp3 n ILE 77 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2cp3 s GLY 78 N -5.15 2.48 -0.10 7.39 0.00 -1.26 -5.07 107.32 105.60 2cp3 s GLY 78 Ca -0.10 0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.90 2cp3 s GLY 78 CO 0.66 0.56 -0.18 -0.56 0.00 0.00 0.00 173.10 173.58 2cp3 s SER 79 N -2.02 2.57 -0.02 1.64 0.01 -1.26 -5.06 113.70 109.56 2cp3 s SER 79 Ca 0.54 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 2cp3 s SER 79 Cb -0.12 -1.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.94 2cp3 s SER 79 CO 0.18 0.06 -0.01 1.23 0.41 0.00 0.00 173.24 175.11 2cp3 h GLY 80 N 7.15 0.00 -5.66 3.44 0.00 -2.03 -3.39 103.07 102.59 2cp3 h GLY 80 Ca -0.28 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.58 2cp3 h GLY 80 CO 0.49 0.00 2.64 -1.55 0.00 0.00 0.00 176.54 178.12 2cp3 n PRO 81 N -2.53 2.08 -4.27 4.80 -0.04 -1.26 -4.83 135.00 128.96 2cp3 n PRO 81 Ca -0.00 -1.62 -0.15 0.00 -0.04 0.00 0.00 63.50 61.68 2cp3 n PRO 81 Cb 0.01 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 2cp3 n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cp3 s SER 82 N 3.67 1.62 0.05 3.54 1.04 -1.26 -5.07 113.70 117.30 2cp3 s SER 82 Ca 0.45 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2cp3 s SER 82 Cb 0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2cp3 s SER 82 CO -0.00 -0.46 0.00 -0.24 0.98 0.00 0.00 173.24 173.51 2cp3 n SER 83 N -0.28 -0.02 0.00 7.02 2.88 -1.26 -5.15 113.62 116.81 2cp3 n SER 83 Ca -0.08 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2cp3 n SER 83 Cb 0.62 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 2cp3 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42